REMARK Name = LIG000673 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.952 0.721 -0.696 0.00 0.00 +0.160 A ATOM 2 C LIG 1 2.759 0.021 -1.589 0.00 0.00 +0.030 A ATOM 3 S LIG 1 1.870 -1.303 -2.252 0.00 0.00 -0.056 S ATOM 4 C LIG 1 0.530 -0.868 -1.308 0.00 0.00 +0.165 A ATOM 5 N LIG 1 0.668 0.176 -0.542 0.00 0.00 -0.218 NA ENDROOT BRANCH 4 6 ATOM 6 N LIG 1 -0.554 -1.680 -1.448 0.00 0.00 -0.263 N ATOM 7 H LIG 1 -0.468 -2.486 -2.050 0.00 0.00 +0.157 HD ATOM 8 C LIG 1 -1.749 -1.535 -0.804 0.00 0.00 +0.239 C ATOM 9 O LIG 1 -2.590 -2.427 -0.953 0.00 0.00 -0.273 OA BRANCH 8 10 ATOM 10 C LIG 1 -1.995 -0.318 0.096 0.00 0.00 +0.222 C BRANCH 10 11 ATOM 11 N LIG 1 -3.386 -0.283 0.528 0.00 0.00 -0.290 N ATOM 12 C LIG 1 -4.321 0.318 -0.282 0.00 0.00 +0.257 A ATOM 13 O LIG 1 -4.046 0.851 -1.356 0.00 0.00 -0.267 OA ATOM 14 C LIG 1 -5.723 0.298 0.221 0.00 0.00 +0.035 A ATOM 15 C LIG 1 -6.723 1.011 -0.636 0.00 0.00 +0.051 C ATOM 16 C LIG 1 -5.956 -0.331 1.389 0.00 0.00 +0.048 A ATOM 17 C LIG 1 -7.330 -0.461 1.996 0.00 0.00 +0.066 C ATOM 18 N LIG 1 -4.975 -0.943 2.134 0.00 0.00 -0.242 NA ATOM 19 C LIG 1 -3.769 -0.905 1.681 0.00 0.00 +0.202 A ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 4 6 BRANCH 1 20 ATOM 20 C LIG 1 2.344 1.928 0.046 0.00 0.00 +0.358 C ATOM 21 O LIG 1 3.404 2.522 -0.119 0.00 0.00 -0.243 OA BRANCH 20 23 ATOM 22 C LIG 1 1.714 3.493 1.678 0.00 0.00 +0.280 C ATOM 23 O LIG 1 1.384 2.319 0.938 0.00 0.00 -0.463 OA ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 2 24 ATOM 24 C LIG 1 4.181 0.251 -2.017 0.00 0.00 +0.080 C BRANCH 24 25 ATOM 25 C LIG 1 5.182 -0.474 -1.144 0.00 0.00 -0.042 A ATOM 26 C LIG 1 5.813 0.186 -0.080 0.00 0.00 +0.004 A ATOM 27 C LIG 1 6.724 -0.489 0.735 0.00 0.00 +0.000 A ATOM 28 C LIG 1 7.014 -1.830 0.496 0.00 0.00 +0.000 A ATOM 29 C LIG 1 6.396 -2.498 -0.558 0.00 0.00 +0.000 A ATOM 30 C LIG 1 5.485 -1.825 -1.374 0.00 0.00 +0.004 A ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 7